3-[(2,6-dichlorophenyl)methoxy]-5-(trifluoromethyl)benzaldehyde

C15H9Cl2F3O2 — CID 122475914

IUPAC3-[(2,6-dichlorophenyl)methoxy]-5-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(OCc2c(Cl)cccc2Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C15H9Cl2F3O2/c16-13-2-1-3-14(17)12(13)8-22-11-5-9(7-21)4-10(6-11)15(18,19)20/h1-7H,8H2
InChIKeySBMLFSMBKYQCIC-UHFFFAOYSA-N
MW349.14 g/mol
LogP5.40
Rot. Bonds4

About 3-[(2,6-dichlorophenyl)methoxy]-5-(trifluoromethyl)benzaldehyde

3-[(2,6-dichlorophenyl)methoxy]-5-(trifluoromethyl)benzaldehyde (PubChem CID 122475914) has the molecular formula C15H9Cl2F3O2 and a molecular weight of 349.14 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methoxy]-5-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methoxy]-5-(trifluoromethyl)benzaldehyde
PubChem CID122475914
Molecular FormulaC15H9Cl2F3O2
Molecular Weight349.14 g/mol
Exact Mass347.99
IUPAC Name3-[(2,6-dichlorophenyl)methoxy]-5-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(OCc2c(Cl)cccc2Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C15H9Cl2F3O2/c16-13-2-1-3-14(17)12(13)8-22-11-5-9(7-21)4-10(6-11)15(18,19)20/h1-7H,8H2
InChIKeySBMLFSMBKYQCIC-UHFFFAOYSA-N
XLogP5.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.14
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)benzaldehyde
CID 122475730
3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-(2,2,2-trifluoroethoxy)benzaldehyde
CID 122475998
3-[3-(trifluoromethyl)phenoxy]benzaldehyde
CID 522711
3-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-(trifluoromethoxy)benzaldehyde
CID 122476736
3-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde
CID 60722583
(2,6-dichlorophenyl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 3560338
3-chloro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 122476454
3-bromo-5-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 122476289
4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde
CID 842707
3-(trifluoromethyl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxybenzaldehyde
CID 122475629
2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-1,3-dichlorobenzene
CID 2807423
3-(trifluoromethoxy)-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122475563

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methoxy]-5-(trifluoromethyl)benzaldehyde?
The IUPAC name of 3-[(2,6-dichlorophenyl)methoxy]-5-(trifluoromethyl)benzaldehyde (CID 122475914) is 3-[(2,6-dichlorophenyl)methoxy]-5-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methoxy]-5-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methoxy]-5-(trifluoromethyl)benzaldehyde is O=Cc1cc(OCc2c(Cl)cccc2Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methoxy]-5-(trifluoromethyl)benzaldehyde?
The InChIKey is SBMLFSMBKYQCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3O2/c16-13-2-1-3-14(17)12(13)8-22-11-5-9(7-21)4-10(6-11)15(18,19)20/h1-7H,8H2.
What are the key properties of 3-[(2,6-dichlorophenyl)methoxy]-5-(trifluoromethyl)benzaldehyde?
3-[(2,6-dichlorophenyl)methoxy]-5-(trifluoromethyl)benzaldehyde has a molecular weight of 349.14 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methoxy]-5-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 122475914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).